3KJ6

crystal structure of a methylated beta2 adrenergic receptor- fab complex

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-L
  • Int. Res.: 36
  • Norm. En. per Res.: -3.584
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-L	-20.4367	-12.5988	-95.9902	-129.0257	36	8	1	3486	0	14	9
A-H	-12.2731	-39.7549	-122.556	-174.584	55	10	1	4467	2	16	9
L-H	-22.9232	-40.5031	451.028	387.6017	195	27	9	18198	4	13	19

Interface residues

• A-L: ALA51L, ARG239A, ARG50L, ARG53L, ASN30L, ASP234A, ASP56L, ASP92L, GLN231A, GLN90L, GLU237A, GLU93L, GLY238A, HIS241A, ILE233A, ILE29L, ILE48L, LEU33L, LEU47L, LEU89L, LYS232A, LYS235A, PHE240A, PHE36L, PHE94L, SER236A, SER31L, SER34L, THR46L, TRP35L, TYR32L, TYR49L, TYR91L, TYR96L, VAL242A, VAL55L
• A-H: ARG239A, ARG328A, ARG333A, ARG98H, ASN35H, ASN57H, ASP234A, ASP31H, ASP331A, ASP59H, CYS265A, GLN231A, GLU237A, GLU268A, GLU50H, GLY101H, GLY238A, GLY54H, GLY56H, GLY99H, HIS241A, HIS269A, ILE233A, ILE334A, ILE34H, ILE51H, ILE58H, LEU230A, LEU266A, LYS235A, LYS267A, LYS270A, LYS273A, LYS74H, PHE100H, PHE240A, PRO330A, PRO53H, SER236A, SER329A, SER345A, SER346A, SER55H, SER75H, THR30H, TRP103H, TRP47H, TYR102H, TYR27H, TYR32H, TYR33H, TYR52H, VAL242A, VAL2H, VAL97H
• L-H: ALA125H, ALA129H, ALA130H, ALA130L, ALA135H, ALA168H, ARG211L, ARG213H, ARG38H, ARG40H, ARG63H, ARG98H, ASN133H, ASN137L, ASN138L, ASN157L, ASN161L, ASN210L, ASN212L, ASN35H, ASN57H, ASN61H, ASP165L, ASP167L, ASP170L, ASP1L, ASP214H, ASP56L, ASP59H, CYS134L, CYS140H, CYS214L, CYS215H, CYS217H, CYS88L, CYS96H, GLN105H, GLN124L, GLN166L, GLN171H, GLN37L, GLN38L, GLN39H, GLN43H, GLN6H, GLN90L, GLU123L, GLU213L, GLU46H, GLU50H, GLU62H, GLU93L, GLY100L, GLY101H, GLY101L, GLY104H, GLY106H, GLY127H, GLY128L, GLY129L, GLY139H, GLY144H, GLY158L, GLY162H, GLY216H, GLY42H, GLY44H, GLY49H, GLY99H, GLY99L, HIS164H, ILE117L, ILE210H, ILE2L, ILE34H, ILE48H, ILE48L, ILE51H, ILE58H, ILE85L, LEU124H, LEU125L, LEU136L, LEU138H, LEU141H, LEU160L, LEU170H, LEU174H, LEU177H, LEU179L, LEU181L, LEU47L, LEU89L, LYS142L, LYS143H, LYS169L, LYS207L, LYS208H, LYS209H, LYS39L, LYS3L, LYS42L, LYS45L, MET175L, PHE100H, PHE118L, PHE135L, PHE139L, PHE166H, PHE209L, PHE36L, PHE45H, PHE64H, PHE94L, PHE95H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, PRO95L, SER116L, SER120H, SER121L, SER122L, SER127L, SER128H, SER131L, SER160H, SER161H, SER162L, SER168L, SER171L, SER172H, SER174L, SER176L, SER177L, SER178H, SER179H, SER180H, SER208L, SER34L, SER43L, THR114L, THR126L, THR132H, THR137H, THR164L, THR165H, THR172L, THR176H, THR178L, THR180L, THR182H, THR182L, THR46L, THR97L, TRP103H, TRP154H, TRP163L, TRP188H, TRP35L, TRP36H, TRP47H, TYR102H, TYR122H, TYR173L, TYR175H, TYR186L, TYR33H, TYR49L, TYR60H, TYR86L, TYR87L, TYR91L, TYR96L, VAL115L, VAL121H, VAL132L, VAL133L, VAL136H, VAL142H, VAL159L, VAL163H, VAL169H, VAL181H, VAL211H, VAL2H, VAL37H, VAL55L, VAL93H, VAL97H